(E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide

C23H24N4O2 — CID 24960283

IUPAC(E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(CCc1cn[nH]c1-c1ccccc1)CC2)NO
InChIInChI=1S/C23H24N4O2/c28-22(26-29)9-7-17-6-8-18-10-12-27(16-21(18)14-17)13-11-20-15-24-25-23(20)19-4-2-1-3-5-19/h1-9,14-15,29H,10-13,16H2,(H,24,25)(H,26,28)/b9-7+
InChIKeyLIWDGTAEDVCKPA-VQHVLOKHSA-N
MW388.47 g/mol
LogP3.20
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide (PubChem CID 24960283) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
PubChem CID24960283
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(CCc1cn[nH]c1-c1ccccc1)CC2)NO
InChIInChI=1S/C23H24N4O2/c28-22(26-29)9-7-17-6-8-18-10-12-27(16-21(18)14-17)13-11-20-15-24-25-23(20)19-4-2-1-3-5-19/h1-9,14-15,29H,10-13,16H2,(H,24,25)(H,26,28)/b9-7+
InChIKeyLIWDGTAEDVCKPA-VQHVLOKHSA-N
XLogP3.20
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
CID 69086026
(E)-3-[2-[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-hydroxyprop-2-enamide
CID 24961371
(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide
CID 87490974
3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-N-hydroxyprop-2-enamide
CID 74374103
(E)-N-hydroxy-3-[2-[2-(4-methylphenyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
CID 59158660
(E)-N-hydroxy-3-[2-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24959171
(E)-3-[2-[2-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]-N-hydroxyprop-2-enamide
CID 87490541
(E)-3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-6-yl]-N-hydroxyprop-2-enamide
CID 24962104
(E)-N-hydroxy-3-[1-methyl-3-[(2-phenylethylamino)methyl]indol-5-yl]prop-2-enamide
CID 11857024
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
(E)-N-hydroxy-3-[1-(2-phenylethyl)-3-(pyrrolidin-1-ylmethyl)indol-5-yl]prop-2-enamide
CID 11853117

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide (CID 24960283) is (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(CCc1cn[nH]c1-c1ccccc1)CC2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide?
The InChIKey is LIWDGTAEDVCKPA-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(26-29)9-7-17-6-8-18-10-12-27(16-21(18)14-17)13-11-20-15-24-25-23(20)19-4-2-1-3-5-19/h1-9,14-15,29H,10-13,16H2,(H,24,25)(H,26,28)/b9-7+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide has a molecular weight of 388.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-(5-phenyl-1H-pyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide is sourced from PubChem (CID 24960283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).